B4Y2QT -OEChem-04022109402D 54 56 0 1 0 0 0 0 0999 V2000 6.2881 -2.3931 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -1.8053 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.9093 0.3502 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 1.4683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 -0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 -1.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -1.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -3.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8812 2.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 2.2470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -2.6143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0152 3.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 5.2470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6492 -0.2918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6492 -0.2918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9582 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 1.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 -3.3188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3090 -3.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -4.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -4.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2832 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0152 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -5.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2832 3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 -0.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3677 -0.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5968 1.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9214 -3.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 -2.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -3.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -4.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 -5.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -5.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8905 -1.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6187 -1.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 -1.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 -3.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 2.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -5.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9059 -6.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3834 -5.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 4.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 -0.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6123 5.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 5.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 18 6 1 6 0 0 0 6 45 1 0 0 0 0 7 25 1 0 0 0 0 8 26 2 0 0 0 0 9 52 1 0 0 0 0 10 27 2 0 0 0 0 11 29 2 0 0 0 0 12 21 1 0 0 0 0 12 24 1 0 0 0 0 12 27 1 0 0 0 0 20 13 1 1 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 26 1 0 0 0 0 14 46 1 0 0 0 0 15 29 1 0 0 0 0 15 32 2 0 0 0 0 16 32 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 1 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 1 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 M END $$$$